N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H16ClN5OS — CID 7531820

IUPACN-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClN5OS/c1-11-6-5-7-12(2)16(11)23-17(20-21-22-23)25-10-15(24)19-14-9-4-3-8-13(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyHBYOAJQVNUBVIB-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.66
Rot. Bonds5

About N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 7531820) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID7531820
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC NameN-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H16ClN5OS/c1-11-6-5-7-12(2)16(11)23-17(20-21-22-23)25-10-15(24)19-14-9-4-3-8-13(14)18/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyHBYOAJQVNUBVIB-UHFFFAOYSA-N
XLogP3.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 5275183
N-(2-chlorophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7862520
N-(2-chloro-4-methyl-phenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7862548
N-(2-chloro-4-methyl-phenyl)-2-[[4-(2,4-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16073591
2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 2223242
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
N-(2-chlorophenyl)-2-(1-mesityl-1H-tetrazol-5-ylthio)acetamide
CID 2810449
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
N-(2-chloro-4-sulfamoyl-phenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 15956047
3-chloro-4-(2-(1-mesityl-1H-tetrazol-5-ylthio)acetamido)benzamide
CID 15956048
2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-4-(4-hydroxy-3,3-dimethyl-but-1-ynyl)phenyl]acetamide
CID 16077886

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 7531820) is N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is HBYOAJQVNUBVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-11-6-5-7-12(2)16(11)23-17(20-21-22-23)25-10-15(24)19-14-9-4-3-8-13(14)18/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 373.87 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 7531820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).